SCHEMBL29670968

SCHEMBL29670968

C=C(C)C(=O)Nc1cccc(Cl)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
DHODH Q02127 5/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NOTUM Q6P988 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28718277 1.00 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2DHODHCXCR1
SCHEMBL10767715 0.84 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2CXCR1CXCR2
SCHEMBL11791658 0.83 GPR35 (0.59) TAS1R3TAS1R1TAS1R2DHODHCXCR1
SCHEMBL13756100 0.82 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2TDP1MAPT
SCHEMBL7779068 0.79 CYP1A2 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27370682 0.77 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2CXCR1CXCR2
SCHEMBL13756099 0.75 GAA (0.60) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL9510325 0.75 SMN1; SMN2 (0.55) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29649017 0.74 ALDH1A1 (0.68) GPR35MAPTNPC1RAB9AMEN1
SCHEMBL7507310 0.74 ALDH1A1 (0.68) GPR35MAPTNPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116327751-B Application of 3-azido-N- (3-chloro-2-cyanophenyl) -2-methyl-2- (phenylseleno) propionamide in preparation of antitumor drugs 哈尔滨商业大学 2025-05-30 CN disclosed
CN-116354860-B Application of 3-azido-N- (3-chloro-2-cyanophenyl) -2-methyl-2- (phenylseleno) propanamide in preparation of tyrosinase inhibitor 哈尔滨商业大学 2025-04-11 CN disclosed
CN-116354860-A Application of 3-azido-N- (3-chloro-2-cyanophenyl) -2-methyl-2- (phenylseleno) propanamide in preparation of tyrosinase inhibitor 哈尔滨商业大学 2023-06-30 CN disclosed
CN-116327751-A Application of 3-azido-N- (3-chloro-2-cyanophenyl) -2-methyl-2- (phenylseleno) propionamide in preparation of antitumor drugs 哈尔滨商业大学 2023-06-27 CN disclosed
CN-114276283-B 3-azido-N- (3-chloro-2-cyanophenyl) -2-methyl-2- (phenylseleno) propanamide 哈尔滨商业大学 2023-04-21 CN disclosed
CN-114276283-A 3-azido-N- (3-chloro-2-cyanophenyl) -2-methyl-2- (phenylseleno) propanamide 哈尔滨商业大学 2022-04-05 CN disclosed